Dataset Open Access
Data publication: Density functionals with spin-density accuracy for open shells
Callow, Timothy James;
Pearce, Benjamin
Supervisor(s)
Gidopoulos, Nikitas
Data for the figures of the main paper (https://aip.scitation.org/doi/10.1063/5.0071991) and supplementary information, arranged by figure number.
Notes:
- A few energies are given as identically zero. These are not actually zero but did not converge.
- All data is given in the units in which it appears in the paper, and columns are labelled using the same notation as in the paper.
Files
(41.7 kB)
| Name | Size | |
|---|---|---|
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paper_data.tar.gz
md5:10117a7a21ae2c150b5ed9463bd3516f |
41.7 kB | Download |
441
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downloads
| All versions | This version | |
|---|---|---|
| Views | 441 | 441 |
| Downloads | 231 | 231 |
| Data volume | 9.6 MB | 9.6 MB |
| Unique views | 147 | 147 |
| Unique downloads | 37 | 37 |
- Publication date:
- March 8, 2022
- DOI:
-
- Related identifiers:
- Identical to:
https://www.hzdr.de/publications/Publ-34357 - Referenced by:
10.1063/5.0071991, https://aip.scitation.org/doi/10.1063/5.0071991, https://www.hzdr.de/publications/Publ-33603, https://www.hzdr.de/publications/Publ-33603 - Communities:
- License (for files):
- Creative Commons Attribution 4.0 International